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1,000 employees from over 50 nations, it is the largest institute of the Max Planck Society . The Research Group Computational Biomolecular Dynamics (Prof. Dr. Bert de Groot) is inviting
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chemistry, cell and molecular biology, biochemistry Honors (first class) or MSc degree in Chemistry/Pharmacology/Pharmaceutical Sciences Essential experience: Synthetic/medicinal chemistry (small molecule
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carried using explicit water molecules relying on molecular dynamics (thermodynamic integration and/or metadynamics). The screening for improved catalysts compared to the state-of-the-art (Pt-Ru) will start
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following criteria: BSc, including synthetic chemistry, cell and molecular biology, biochemistry Honors (first class) or MSc degree in Chemistry/Pharmacology/Pharmaceutical Sciences Essential experience
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be done via computer simulations, including Monte Carlo and molecular dynamics, combined with the use of statistical mechanics to predict e.g. phase transitions, nucleation rates, etc. The work will be
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tools and simulation models to (1) detect novel pathogens early through broad genomic screening, (2) support hospitals in mitigating the impact of pandemics through optimized data-driven decision-making
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mechanics (QM / MM) molecular dynamics simulations using a Quantum Centric Supercomputing (QSC) approach [1,2] for the QM problem. This will be integrated within the in-house MiMiC framework [3] and applied
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Your Job: The overarching goal is to implement a code for multiscale quantum mechanics / molecular mechanics (QM/MM) molecular dynamics simulations using a Quantum Centric Supercomputing (QSC
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! You will demonstrated expertise in developing machine-learning interatomic potentials (MLIPs) for large-scale molecular dynamics (MD) simulations of materials. Together, we will push the boundaries
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: Applications are invited from outstanding graduates who meet the following criteria: BSc, including mathematics, cell and molecular biology Honors (first class) or MSc degree in Microbiology/Immunology